CID 89375238

C84H74N2 — CID 89375238

IUPAC—
SMILESc1ccc(-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccc(-n7c8cc9c(cc8c8cc%10c(cc87)C7(CCCCC7)c7ccccc7-%10)-c7ccccc7C97CCCCC7)cc6)cc4)c3cc2C2CCCCC2)C2(CCCCC2)c2ccccc2-5)cc1
InChIInChI=1S/C84H74N2/c1-6-22-56(23-7-1)63-46-68-69-47-65-60-26-10-13-29-72(60)82(40-16-3-17-41-82)75(65)51-79(69)85(78(68)50-64(63)57-24-8-2-9-25-57)58-36-32-54(33-37-58)55-34-38-59(39-35-55)86-80-52-76-66(61-27-11-14-30-73(61)83(76)42-18-4-19-43-83)48-70(80)71-49-67-62-28-12-15-31-74(62)84(44-20-5-21-45-84)77(67)53-81(71)86/h1,6-7,10-15,22-23,26-39,46-53,57H,2-5,8-9,16-21,24-25,40-45H2
InChIKeyIAEAWHRVWMRRHE-UHFFFAOYSA-N
MW1111.53 g/mol
LogP22.95
Rot. Bonds5

About CID 89375238

CID 89375238 (PubChem CID 89375238) has the molecular formula C84H74N2 and a molecular weight of 1111.53 g/mol.

Molecular Properties

Compound NameCID 89375238
PubChem CID89375238
Molecular FormulaC84H74N2
Molecular Weight1111.53 g/mol
Exact Mass1110.59
IUPAC Name—
SMILESc1ccc(-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccc(-n7c8cc9c(cc8c8cc%10c(cc87)C7(CCCCC7)c7ccccc7-%10)-c7ccccc7C97CCCCC7)cc6)cc4)c3cc2C2CCCCC2)C2(CCCCC2)c2ccccc2-5)cc1
InChIInChI=1S/C84H74N2/c1-6-22-56(23-7-1)63-46-68-69-47-65-60-26-10-13-29-72(60)82(40-16-3-17-41-82)75(65)51-79(69)85(78(68)50-64(63)57-24-8-2-9-25-57)58-36-32-54(33-37-58)55-34-38-59(39-35-55)86-80-52-76-66(61-27-11-14-30-73(61)83(76)42-18-4-19-43-83)48-70(80)71-49-67-62-28-12-15-31-74(62)84(44-20-5-21-45-84)77(67)53-81(71)86/h1,6-7,10-15,22-23,26-39,46-53,57H,2-5,8-9,16-21,24-25,40-45H2
InChIKeyIAEAWHRVWMRRHE-UHFFFAOYSA-N
XLogP22.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001111.53
LogP ≤ 522.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947464
2-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)-9-(4-phenylphenyl)carbazole
CID 154947405
5'-phenyl-2'-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947532
3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947376
3'-chloro-5'-phenylspiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 150536870
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 146757100
5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 149154937
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
5'-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[cyclopentane-1,7'-indeno[2,1-b]carbazole]
CID 169014969
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-2-amine
CID 170119565

Frequently Asked Questions

What is the IUPAC name of CID 89375238?
The IUPAC name of CID 89375238 (CID 89375238) is not available.
What is the SMILES notation for CID 89375238?
The canonical SMILES for CID 89375238 is c1ccc(-c2cc3c4cc5c(cc4n(-c4ccc(-c6ccc(-n7c8cc9c(cc8c8cc%10c(cc87)C7(CCCCC7)c7ccccc7-%10)-c7ccccc7C97CCCCC7)cc6)cc4)c3cc2C2CCCCC2)C2(CCCCC2)c2ccccc2-5)cc1.
What is the InChIKey of CID 89375238?
The InChIKey is IAEAWHRVWMRRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H74N2/c1-6-22-56(23-7-1)63-46-68-69-47-65-60-26-10-13-29-72(60)82(40-16-3-17-41-82)75(65)51-79(69)85(78(68)50-64(63)57-24-8-2-9-25-57)58-36-32-54(33-37-58)55-34-38-59(39-35-55)86-80-52-76-66(61-27-11-14-30-73(61)83(76)42-18-4-19-43-83)48-70(80)71-49-67-62-28-12-15-31-74(62)84(44-20-5-21-45-84)77(67)53-81(71)86/h1,6-7,10-15,22-23,26-39,46-53,57H,2-5,8-9,16-21,24-25,40-45H2.
What are the key properties of CID 89375238?
CID 89375238 has a molecular weight of 1111.53 g/mol, XLogP of 22.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89375238 is sourced from PubChem (CID 89375238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).