CID 159039073

C71H54N2 — CID 159039073

IUPAC—
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C71H54N2/c1-2-14-48(15-3-1)49-26-32-54(33-27-49)72(55-34-28-50(29-35-55)51-30-36-56(37-31-51)73-68-24-12-6-18-60(68)61-19-7-13-25-69(61)73)57-38-39-66-67(45-57)71(62-20-8-4-16-58(62)59-17-5-9-21-63(59)71)65-23-11-10-22-64(65)70(66)52-41-46-40-47(43-52)44-53(70)42-46/h1-39,45-47,52-53H,40-44H2
InChIKeyXBBCKVKFGNGODN-UHFFFAOYSA-N
MW935.23 g/mol
LogP18.01
Rot. Bonds6

About CID 159039073

CID 159039073 (PubChem CID 159039073) has the molecular formula C71H54N2 and a molecular weight of 935.23 g/mol.

Molecular Properties

Compound NameCID 159039073
PubChem CID159039073
Molecular FormulaC71H54N2
Molecular Weight935.23 g/mol
Exact Mass934.43
IUPAC Name—
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C71H54N2/c1-2-14-48(15-3-1)49-26-32-54(33-27-49)72(55-34-28-50(29-35-55)51-30-36-56(37-31-51)73-68-24-12-6-18-60(68)61-19-7-13-25-69(61)73)57-38-39-66-67(45-57)71(62-20-8-4-16-58(62)59-17-5-9-21-63(59)71)65-23-11-10-22-64(65)70(66)52-41-46-40-47(43-52)44-53(70)42-46/h1-39,45-47,52-53H,40-44H2
InChIKeyXBBCKVKFGNGODN-UHFFFAOYSA-N
XLogP18.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.23
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 159077369
CID 159077369
N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine
CID 158024672
9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218
CID 161255941
CID 161255941
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]carbazol-2-amine
CID 155399565
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine
CID 158256147

Frequently Asked Questions

What is the IUPAC name of CID 159039073?
The IUPAC name of CID 159039073 (CID 159039073) is not available.
What is the SMILES notation for CID 159039073?
The canonical SMILES for CID 159039073 is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)cc1.
What is the InChIKey of CID 159039073?
The InChIKey is XBBCKVKFGNGODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H54N2/c1-2-14-48(15-3-1)49-26-32-54(33-27-49)72(55-34-28-50(29-35-55)51-30-36-56(37-31-51)73-68-24-12-6-18-60(68)61-19-7-13-25-69(61)73)57-38-39-66-67(45-57)71(62-20-8-4-16-58(62)59-17-5-9-21-63(59)71)65-23-11-10-22-64(65)70(66)52-41-46-40-47(43-52)44-53(70)42-46/h1-39,45-47,52-53H,40-44H2.
What are the key properties of CID 159039073?
CID 159039073 has a molecular weight of 935.23 g/mol, XLogP of 18.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159039073 is sourced from PubChem (CID 159039073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).