2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine

C87H55N5 — CID 58510554

IUPAC2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)c2ccc3c(c2)c2ccc4ccccc4c2n3-c2ccccc2)cc1
InChIInChI=1S/C87H55N5/c1-5-24-58(25-6-1)88(62-44-50-81-74(52-62)72-46-40-56-22-13-15-32-66(56)84(72)90(81)60-28-9-3-10-29-60)64-42-48-68-69-49-43-65(55-79(69)87(78(68)54-64)76-36-18-20-39-83(76)92-80-38-19-17-34-70(80)71-35-21-37-77(87)86(71)92)89(59-26-7-2-8-27-59)63-45-51-82-75(53-63)73-47-41-57-23-14-16-33-67(57)85(73)91(82)61-30-11-4-12-31-61/h1-55H
InChIKeyONGZGZMOCGIUNT-UHFFFAOYSA-N
MW1170.43 g/mol
LogP22.90
Rot. Bonds8

About 2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine

2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine (PubChem CID 58510554) has the molecular formula C87H55N5 and a molecular weight of 1170.43 g/mol. Its IUPAC name is 2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine.

Molecular Properties

Compound Name2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine
PubChem CID58510554
Molecular FormulaC87H55N5
Molecular Weight1170.43 g/mol
Exact Mass1169.45
IUPAC Name2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)c2ccc3c(c2)c2ccc4ccccc4c2n3-c2ccccc2)cc1
InChIInChI=1S/C87H55N5/c1-5-24-58(25-6-1)88(62-44-50-81-74(52-62)72-46-40-56-22-13-15-32-66(56)84(72)90(81)60-28-9-3-10-29-60)64-42-48-68-69-49-43-65(55-79(69)87(78(68)54-64)76-36-18-20-39-83(76)92-80-38-19-17-34-70(80)71-35-21-37-77(87)86(71)92)89(59-26-7-2-8-27-59)63-45-51-82-75(53-63)73-47-41-57-23-14-16-33-67(57)85(73)91(82)61-30-11-4-12-31-61/h1-55H
InChIKeyONGZGZMOCGIUNT-UHFFFAOYSA-N
XLogP22.90
TPSA21.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001170.43
LogP ≤ 522.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 134309232
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135167982
N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135167948
N-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 159187067
N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine
CID 134452955
N-(4-carbazol-9-ylphenyl)-N-pyren-2-ylpyren-2-amine;N,N-di(pyren-2-yl)-9,9'-spirobi[fluorene]-2-amine;9-phenyl-N,N-di(pyren-2-yl)carbazol-3-amine
CID 159843414
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135167951
N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135168601
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168781399
N-dibenzofuran-2-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 134309200
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847861
N-naphthalen-1-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 158680730

Frequently Asked Questions

What is the IUPAC name of 2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine?
The IUPAC name of 2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine (CID 58510554) is 2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine.
What is the SMILES notation for 2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine?
The canonical SMILES for 2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine is c1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)ccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)c2ccc3c(c2)c2ccc4ccccc4c2n3-c2ccccc2)cc1.
What is the InChIKey of 2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine?
The InChIKey is ONGZGZMOCGIUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H55N5/c1-5-24-58(25-6-1)88(62-44-50-81-74(52-62)72-46-40-56-22-13-15-32-66(56)84(72)90(81)60-28-9-3-10-29-60)64-42-48-68-69-49-43-65(55-79(69)87(78(68)54-64)76-36-18-20-39-83(76)92-80-38-19-17-34-70(80)71-35-21-37-77(87)86(71)92)89(59-26-7-2-8-27-59)63-45-51-82-75(53-63)73-47-41-57-23-14-16-33-67(57)85(73)91(82)61-30-11-4-12-31-61/h1-55H.
What are the key properties of 2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine?
2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine has a molecular weight of 1170.43 g/mol, XLogP of 22.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine is sourced from PubChem (CID 58510554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).