2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine

C62H42N2 — CID 134529801

IUPAC2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(C5=C4c4ccccc4C5)c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc43)cc2)cc1
InChIInChI=1S/C62H42N2/c1-4-17-42(18-5-1)43-31-33-48(34-32-43)63(46-22-6-2-7-23-46)49-36-38-55-58(40-49)62(59-39-45-20-11-13-27-52(45)61(55)59)56-29-15-14-28-53(56)54-37-35-50(41-57(54)62)64(47-24-8-3-9-25-47)60-30-16-21-44-19-10-12-26-51(44)60/h1-38,40-41H,39H2
InChIKeyBKBNWMAGXMWXCN-UHFFFAOYSA-N
MW815.03 g/mol
LogP16.13
Rot. Bonds7

About 2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine

2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine (PubChem CID 134529801) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is 2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine.

Molecular Properties

Compound Name2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine
PubChem CID134529801
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC Name2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(C5=C4c4ccccc4C5)c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc43)cc2)cc1
InChIInChI=1S/C62H42N2/c1-4-17-42(18-5-1)43-31-33-48(34-32-43)63(46-22-6-2-7-23-46)49-36-38-55-58(40-49)62(59-39-45-20-11-13-27-52(45)61(55)59)56-29-15-14-28-53(56)54-37-35-50(41-57(54)62)64(47-24-8-3-9-25-47)60-30-16-21-44-19-10-12-26-51(44)60/h1-38,40-41H,39H2
InChIKeyBKBNWMAGXMWXCN-UHFFFAOYSA-N
XLogP16.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;2-N-naphthalen-1-yl-2-N,9,9-triphenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 159926574
4-N-naphthalen-1-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;2-N-naphthalen-1-yl-2-N,9,9-triphenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158884424
N,4-diphenyl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;2-N-naphthalen-1-yl-2-N,9,9-triphenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 161371877
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine
CID 153308803
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
N,7'-dinaphthalen-1-yl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 144583894
N-(9H-fluoren-2-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine;N-[4-[4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158984824
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N,9,9-triphenyl-N-[4-[4-(8-phenylnaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 159852016
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713

Frequently Asked Questions

What is the IUPAC name of 2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine?
The IUPAC name of 2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine (CID 134529801) is 2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine.
What is the SMILES notation for 2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine?
The canonical SMILES for 2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(C5=C4c4ccccc4C5)c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc43)cc2)cc1.
What is the InChIKey of 2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine?
The InChIKey is BKBNWMAGXMWXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-4-17-42(18-5-1)43-31-33-48(34-32-43)63(46-22-6-2-7-23-46)49-36-38-55-58(40-49)62(59-39-45-20-11-13-27-52(45)61(55)59)56-29-15-14-28-53(56)54-37-35-50(41-57(54)62)64(47-24-8-3-9-25-47)60-30-16-21-44-19-10-12-26-51(44)60/h1-38,40-41H,39H2.
What are the key properties of 2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine?
2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine has a molecular weight of 815.03 g/mol, XLogP of 16.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-naphthalen-1-yl-2-N,2-N'-diphenyl-2-N-(4-phenylphenyl)spiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-2,2'-diamine is sourced from PubChem (CID 134529801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).