7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine

C71H44N2S — CID 129180986

IUPAC7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4sc5cc(-c6cc7c8ccccc8n(-c8ccccc8)c7c7ccccc67)ccc5c4c3)cc2)cc1
InChIInChI=1S/C71H44N2S/c1-3-17-45(18-4-1)46-31-34-49(35-32-46)72(50-36-39-66-60(42-50)55-24-11-15-29-65(55)71(66)63-27-13-9-22-53(63)54-23-10-14-28-64(54)71)51-37-40-68-61(43-51)57-38-33-47(41-69(57)74-68)59-44-62-56-25-12-16-30-67(56)73(48-19-5-2-6-20-48)70(62)58-26-8-7-21-52(58)59/h1-44H
InChIKeyQVHGAIGDBBZLFX-UHFFFAOYSA-N
MW957.21 g/mol
LogP19.45
Rot. Bonds6

About 7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine

7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine (PubChem CID 129180986) has the molecular formula C71H44N2S and a molecular weight of 957.21 g/mol. Its IUPAC name is 7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine.

Molecular Properties

Compound Name7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine
PubChem CID129180986
Molecular FormulaC71H44N2S
Molecular Weight957.21 g/mol
Exact Mass956.32
IUPAC Name7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4sc5cc(-c6cc7c8ccccc8n(-c8ccccc8)c7c7ccccc67)ccc5c4c3)cc2)cc1
InChIInChI=1S/C71H44N2S/c1-3-17-45(18-4-1)46-31-34-49(35-32-46)72(50-36-39-66-60(42-50)55-24-11-15-29-65(55)71(66)63-27-13-9-22-53(63)54-23-10-14-28-64(54)71)51-37-40-68-61(43-51)57-38-33-47(41-69(57)74-68)59-44-62-56-25-12-16-30-67(56)73(48-19-5-2-6-20-48)70(62)58-26-8-7-21-52(58)59/h1-44H
InChIKeyQVHGAIGDBBZLFX-UHFFFAOYSA-N
XLogP19.45
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.21
LogP ≤ 519.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-methyl-3-[2-methyl-4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 145318458
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121425052
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424718
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 164790607
N,N-bis(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 159835426
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
N-(4-phenylphenyl)-N-triphenylen-2-ylspiro[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]-3'-amine
CID 134309310
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 159587313
CID 159973440
CID 159973440
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167177645
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170665643

Frequently Asked Questions

What is the IUPAC name of 7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine?
The IUPAC name of 7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine (CID 129180986) is 7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine.
What is the SMILES notation for 7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine?
The canonical SMILES for 7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4sc5cc(-c6cc7c8ccccc8n(-c8ccccc8)c7c7ccccc67)ccc5c4c3)cc2)cc1.
What is the InChIKey of 7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine?
The InChIKey is QVHGAIGDBBZLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H44N2S/c1-3-17-45(18-4-1)46-31-34-49(35-32-46)72(50-36-39-66-60(42-50)55-24-11-15-29-65(55)71(66)63-27-13-9-22-53(63)54-23-10-14-28-64(54)71)51-37-40-68-61(43-51)57-38-33-47(41-69(57)74-68)59-44-62-56-25-12-16-30-67(56)73(48-19-5-2-6-20-48)70(62)58-26-8-7-21-52(58)59/h1-44H.
What are the key properties of 7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine?
7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine has a molecular weight of 957.21 g/mol, XLogP of 19.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(11-phenylbenzo[a]carbazol-5-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophen-2-amine is sourced from PubChem (CID 129180986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).