7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine

C71H62N2 — CID 168722567

IUPAC7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine
SMILESC[C@@H]1CC2C[C@@H](C1)[C@@]1(c3ccccc3-c3cc(-c4ccc5c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C7(CCCCC7)c7ccccc7-8)cc6n(-c6ccccc6)c5c4)ccc31)[C@@H](C)C2
InChIInChI=1S/C71H62N2/c1-46-38-48-40-47(2)71(53(39-46)41-48)65-23-13-11-21-59(65)63-42-51(27-35-66(63)71)52-26-32-61-62-34-31-57(45-69(62)73(68(61)43-52)54-18-8-4-9-19-54)72(55-28-24-50(25-29-55)49-16-6-3-7-17-49)56-30-33-60-58-20-10-12-22-64(58)70(67(60)44-56)36-14-5-15-37-70/h3-4,6-13,16-35,42-48,53H,5,14-15,36-41H2,1-2H3/t46-,47+,48?,53-,71-/m1/s1
InChIKeyRXJBKCFJPVGJNK-XNKURIPMSA-N
MW943.29 g/mol
LogP19.18
Rot. Bonds6

About 7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine

7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine (PubChem CID 168722567) has the molecular formula C71H62N2 and a molecular weight of 943.29 g/mol. Its IUPAC name is 7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine.

Molecular Properties

Compound Name7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine
PubChem CID168722567
Molecular FormulaC71H62N2
Molecular Weight943.29 g/mol
Exact Mass942.49
IUPAC Name7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine
SMILESC[C@@H]1CC2C[C@@H](C1)[C@@]1(c3ccccc3-c3cc(-c4ccc5c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C7(CCCCC7)c7ccccc7-8)cc6n(-c6ccccc6)c5c4)ccc31)[C@@H](C)C2
InChIInChI=1S/C71H62N2/c1-46-38-48-40-47(2)71(53(39-46)41-48)65-23-13-11-21-59(65)63-42-51(27-35-66(63)71)52-26-32-61-62-34-31-57(45-69(62)73(68(61)43-52)54-18-8-4-9-19-54)72(55-28-24-50(25-29-55)49-16-6-3-7-17-49)56-30-33-60-58-20-10-12-22-64(58)70(67(60)44-56)36-14-5-15-37-70/h3-4,6-13,16-35,42-48,53H,5,14-15,36-41H2,1-2H3/t46-,47+,48?,53-,71-/m1/s1
InChIKeyRXJBKCFJPVGJNK-XNKURIPMSA-N
XLogP19.18
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.29
LogP ≤ 519.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine with MolForge

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Related Compounds

9-phenyl-N-(3-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylcarbazol-3-amine
CID 168723056
N-[4-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]phenyl]-N-(4-phenylphenyl)-2-spiro[cyclopentane-1,9'-fluorene]-3'-ylaniline
CID 168723031
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722836
9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine
CID 168722791
N-[5-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]naphthalen-1-yl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
CID 174061698
N-[4-(3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 166984173
N-[4-[(1R,2S,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]phenyl]-N-[4-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]phenyl]-4-phenylaniline
CID 168722482
9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218
(1R,2R,3S,7R)-N-[3-[3-[(2S,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]phenyl]phenyl]-3,7-dimethyl-N-(4-phenylphenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 174061394
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
CID 168722865
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168723100

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine?
The IUPAC name of 7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine (CID 168722567) is 7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine.
What is the SMILES notation for 7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine?
The canonical SMILES for 7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine is C[C@@H]1CC2C[C@@H](C1)[C@@]1(c3ccccc3-c3cc(-c4ccc5c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)C7(CCCCC7)c7ccccc7-8)cc6n(-c6ccccc6)c5c4)ccc31)[C@@H](C)C2.
What is the InChIKey of 7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine?
The InChIKey is RXJBKCFJPVGJNK-XNKURIPMSA-N. The full InChI is InChI=1S/C71H62N2/c1-46-38-48-40-47(2)71(53(39-46)41-48)65-23-13-11-21-59(65)63-42-51(27-35-66(63)71)52-26-32-61-62-34-31-57(45-69(62)73(68(61)43-52)54-18-8-4-9-19-54)72(55-28-24-50(25-29-55)49-16-6-3-7-17-49)56-30-33-60-58-20-10-12-22-64(58)70(67(60)44-56)36-14-5-15-37-70/h3-4,6-13,16-35,42-48,53H,5,14-15,36-41H2,1-2H3/t46-,47+,48?,53-,71-/m1/s1.
What are the key properties of 7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine?
7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine has a molecular weight of 943.29 g/mol, XLogP of 19.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine is sourced from PubChem (CID 168722567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).