N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine

C187H122N6O3S — CID 164965051

IUPACN-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc6c7c(cccc57)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)ccc43)cccc21.CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc6c7c(cccc57)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)ccc43)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c3cccc1c23
InChIInChI=1S/C63H38N2OS.2C62H42N2O/c1-2-17-42-39(15-1)16-13-27-54(42)65-55-26-9-4-19-44(55)49-37-40(32-35-57(49)65)64(41-31-33-46-45-20-5-12-30-60(45)67-61(46)38-41)56-36-34-47-43-18-3-6-22-50(43)63(53-25-14-21-48(56)62(47)53)51-23-7-10-28-58(51)66-59-29-11-8-24-52(59)63;1-61(2)47-24-9-7-22-44(47)60-51(61)28-17-31-56(60)64-53-30-13-8-21-42(53)46-38-40(34-36-55(46)64)63(39-18-4-3-5-19-39)54-37-35-43-41-20-6-10-25-48(41)62(52-29-16-23-45(54)59(43)52)49-26-11-14-32-57(49)65-58-33-15-12-27-50(58)62;1-61(2)49-23-9-6-20-43(49)47-37-41(31-34-50(47)61)64-55-28-13-8-21-44(55)48-38-40(32-35-57(48)64)63(39-17-4-3-5-18-39)56-36-33-45-42-19-7-10-24-51(42)62(54-27-16-22-46(56)60(45)54)52-25-11-14-29-58(52)65-59-30-15-12-26-53(59)62/h1-38H;2*3-38H,1-2H3
InChIKeyCJHRHQKHFGQFFW-UHFFFAOYSA-N
MW2533.14 g/mol
LogP49.76
Rot. Bonds12

About N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine

N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine (PubChem CID 164965051) has the molecular formula C187H122N6O3S and a molecular weight of 2533.14 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
PubChem CID164965051
Molecular FormulaC187H122N6O3S
Molecular Weight2533.14 g/mol
Exact Mass2530.93
IUPAC NameN-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc6c7c(cccc57)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)ccc43)cccc21.CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc6c7c(cccc57)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)ccc43)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c3cccc1c23
InChIInChI=1S/C63H38N2OS.2C62H42N2O/c1-2-17-42-39(15-1)16-13-27-54(42)65-55-26-9-4-19-44(55)49-37-40(32-35-57(49)65)64(41-31-33-46-45-20-5-12-30-60(45)67-61(46)38-41)56-36-34-47-43-18-3-6-22-50(43)63(53-25-14-21-48(56)62(47)53)51-23-7-10-28-58(51)66-59-29-11-8-24-52(59)63;1-61(2)47-24-9-7-22-44(47)60-51(61)28-17-31-56(60)64-53-30-13-8-21-42(53)46-38-40(34-36-55(46)64)63(39-18-4-3-5-19-39)54-37-35-43-41-20-6-10-25-48(41)62(52-29-16-23-45(54)59(43)52)49-26-11-14-32-57(49)65-58-33-15-12-27-50(58)62;1-61(2)49-23-9-6-20-43(49)47-37-41(31-34-50(47)61)64-55-28-13-8-21-44(55)48-38-40(32-35-57(48)64)63(39-17-4-3-5-18-39)56-36-33-45-42-19-7-10-24-51(42)62(54-27-16-22-46(56)60(45)54)52-25-11-14-29-58(52)65-59-30-15-12-26-53(59)62/h1-38H;2*3-38H,1-2H3
InChIKeyCJHRHQKHFGQFFW-UHFFFAOYSA-N
XLogP49.76
TPSA52.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms197
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002533.14
LogP ≤ 549.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine?
The IUPAC name of N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine (CID 164965051) is N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine is CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc6c7c(cccc57)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)ccc43)cccc21.CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc6c7c(cccc57)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)ccc43)ccc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)c3cccc1c23.
What is the InChIKey of N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine?
The InChIKey is CJHRHQKHFGQFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2OS.2C62H42N2O/c1-2-17-42-39(15-1)16-13-27-54(42)65-55-26-9-4-19-44(55)49-37-40(32-35-57(49)65)64(41-31-33-46-45-20-5-12-30-60(45)67-61(46)38-41)56-36-34-47-43-18-3-6-22-50(43)63(53-25-14-21-48(56)62(47)53)51-23-7-10-28-58(51)66-59-29-11-8-24-52(59)63;1-61(2)47-24-9-7-22-44(47)60-51(61)28-17-31-56(60)64-53-30-13-8-21-42(53)46-38-40(34-36-55(46)64)63(39-18-4-3-5-19-39)54-37-35-43-41-20-6-10-25-48(41)62(52-29-16-23-45(54)59(43)52)49-26-11-14-32-57(49)65-58-33-15-12-27-50(58)62;1-61(2)49-23-9-6-20-43(49)47-37-41(31-34-50(47)61)64-55-28-13-8-21-44(55)48-38-40(32-35-57(48)64)63(39-17-4-3-5-18-39)56-36-33-45-42-19-7-10-24-51(42)62(54-27-16-22-46(56)60(45)54)52-25-11-14-29-58(52)65-59-30-15-12-26-53(59)62/h1-38H;2*3-38H,1-2H3.
What are the key properties of N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine?
N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine has a molecular weight of 2533.14 g/mol, XLogP of 49.76, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine is sourced from PubChem (CID 164965051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).