N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine

C152H122N4S — CID 158656821

IUPACN-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc32)cc1
InChIInChI=1S/C52H40N2S.2C50H41N/c1-2-11-36(12-3-1)54-46-18-8-5-13-39(46)40-23-21-38(31-48(40)54)53(37-22-24-50-43(30-37)41-14-6-9-20-49(41)55-50)47-19-10-17-45-51(47)42-15-4-7-16-44(42)52(45)34-26-32-25-33(28-34)29-35(52)27-32;1-2-11-35(12-3-1)36-23-25-41(26-24-36)51(42-16-8-15-38(32-42)44-19-9-14-37-13-4-5-17-43(37)44)48-22-10-21-47-49(48)45-18-6-7-20-46(45)50(47)39-28-33-27-34(30-39)31-40(50)29-33;1-2-10-35(11-3-1)37-22-24-43(25-23-37)51(44-15-8-14-39(32-44)40-21-20-36-12-4-5-13-38(36)31-40)48-19-9-18-47-49(48)45-16-6-7-17-46(45)50(47)41-27-33-26-34(29-41)30-42(50)28-33/h1-24,30-35H,25-29H2;1-26,32-34,39-40H,27-31H2;1-25,31-34,41-42H,26-30H2
InChIKeyICFYVHSHXCSOSF-UHFFFAOYSA-N
MW2036.74 g/mol
LogP41.08
Rot. Bonds14

About N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine

N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine (PubChem CID 158656821) has the molecular formula C152H122N4S and a molecular weight of 2036.74 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
PubChem CID158656821
Molecular FormulaC152H122N4S
Molecular Weight2036.74 g/mol
Exact Mass2034.94
IUPAC NameN-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc32)cc1
InChIInChI=1S/C52H40N2S.2C50H41N/c1-2-11-36(12-3-1)54-46-18-8-5-13-39(46)40-23-21-38(31-48(40)54)53(37-22-24-50-43(30-37)41-14-6-9-20-49(41)55-50)47-19-10-17-45-51(47)42-15-4-7-16-44(42)52(45)34-26-32-25-33(28-34)29-35(52)27-32;1-2-11-35(12-3-1)36-23-25-41(26-24-36)51(42-16-8-15-38(32-42)44-19-9-14-37-13-4-5-17-43(37)44)48-22-10-21-47-49(48)45-18-6-7-20-46(45)50(47)39-28-33-27-34(30-39)31-40(50)29-33;1-2-10-35(11-3-1)37-22-24-43(25-23-37)51(44-15-8-14-39(32-44)40-21-20-36-12-4-5-13-38(36)31-40)48-19-9-18-47-49(48)45-16-6-7-17-46(45)50(47)41-27-33-26-34(29-41)30-42(50)28-33/h1-24,30-35H,25-29H2;1-26,32-34,39-40H,27-31H2;1-25,31-34,41-42H,26-30H2
InChIKeyICFYVHSHXCSOSF-UHFFFAOYSA-N
XLogP41.08
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002036.74
LogP ≤ 541.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine with MolForge

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Related Compounds

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 160999297
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-2-amine
CID 162170787
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163601569
N-(2,4-diphenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 163855626
N-[4-(9H-fluoren-9-yl)phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine
CID 163673902
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine;9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-ylcarbazol-3-amine
CID 159384155
3-N-[8-[9,9-dimethyl-4-(N-phenylanilino)fluoren-2-yl]dibenzothiophen-3-yl]-3-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,3-diamine;2-N-(3-naphthalen-1-ylphenyl)-1-N,1-N-diphenyl-2-N-[8-[2-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]benzene-1,2-diamine;3-N-naphthalen-1-yl-1-N-phenyl-1-N-[8-[3-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 161060656
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;methane;N-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 163650615
N-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 118349662
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-ylspiro[adamantane-2,9'-xanthene]-2'-amine
CID 161251793
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326177

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine (CID 158656821) is N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)cc32)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine?
The InChIKey is ICFYVHSHXCSOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2S.2C50H41N/c1-2-11-36(12-3-1)54-46-18-8-5-13-39(46)40-23-21-38(31-48(40)54)53(37-22-24-50-43(30-37)41-14-6-9-20-49(41)55-50)47-19-10-17-45-51(47)42-15-4-7-16-44(42)52(45)34-26-32-25-33(28-34)29-35(52)27-32;1-2-11-35(12-3-1)36-23-25-41(26-24-36)51(42-16-8-15-38(32-42)44-19-9-14-37-13-4-5-17-43(37)44)48-22-10-21-47-49(48)45-18-6-7-20-46(45)50(47)39-28-33-27-34(30-39)31-40(50)29-33;1-2-10-35(11-3-1)37-22-24-43(25-23-37)51(44-15-8-14-39(32-44)40-21-20-36-12-4-5-13-38(36)31-40)48-19-9-18-47-49(48)45-16-6-7-17-46(45)50(47)41-27-33-26-34(29-41)30-42(50)28-33/h1-24,30-35H,25-29H2;1-26,32-34,39-40H,27-31H2;1-25,31-34,41-42H,26-30H2.
What are the key properties of N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine?
N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine has a molecular weight of 2036.74 g/mol, XLogP of 41.08, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 158656821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).