9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine

C50H49N3 — CID 174290455

IUPAC9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine
SMILESCC1(C)C2=CC(N(C3=CCC(C4=Cc5c6c(n(-c7ccccc7)c5CC4)CCC=C6)C=C3)C3=CC=C(c4cccnc4)CC3)CC=C2C2=C1C=CCC2
InChIInChI=1S/C50H49N3/c1-50(2)46-16-8-6-14-42(46)43-28-27-41(32-47(43)50)52(40-25-20-35(21-26-40)37-11-10-30-51-33-37)39-23-18-34(19-24-39)36-22-29-49-45(31-36)44-15-7-9-17-48(44)53(49)38-12-4-3-5-13-38/h3-5,7-8,10-13,15-16,18,20,23-25,28,30-34,41H,6,9,14,17,19,21-22,26-27,29H2,1-2H3
InChIKeyBDIJWHJJCOMIDT-UHFFFAOYSA-N
MW691.96 g/mol
LogP12.00
Rot. Bonds6

About 9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine

9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine (PubChem CID 174290455) has the molecular formula C50H49N3 and a molecular weight of 691.96 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine
PubChem CID174290455
Molecular FormulaC50H49N3
Molecular Weight691.96 g/mol
Exact Mass691.39
IUPAC Name9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine
SMILESCC1(C)C2=CC(N(C3=CCC(C4=Cc5c6c(n(-c7ccccc7)c5CC4)CCC=C6)C=C3)C3=CC=C(c4cccnc4)CC3)CC=C2C2=C1C=CCC2
InChIInChI=1S/C50H49N3/c1-50(2)46-16-8-6-14-42(46)43-28-27-41(32-47(43)50)52(40-25-20-35(21-26-40)37-11-10-30-51-33-37)39-23-18-34(19-24-39)36-22-29-49-45(31-36)44-15-7-9-17-48(44)53(49)38-12-4-3-5-13-38/h3-5,7-8,10-13,15-16,18,20,23-25,28,30-34,41H,6,9,14,17,19,21-22,26-27,29H2,1-2H3
InChIKeyBDIJWHJJCOMIDT-UHFFFAOYSA-N
XLogP12.00
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.96
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine with MolForge

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Related Compounds

4-(1,6,7,9b-tetrahydrodibenzothiophen-4-yl)-N-(4-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-(5-phenyl-3,4,6,7,8,9-hexahydro-[1]benzofuro[3,2-c]carbazol-11-yl)cyclohexa-1,5-dien-1-yl]aniline
CID 69090419
3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-phenyl-5-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)benzene-1,3-diamine
CID 129311142
N-[4-[(5aS)-1,2,5a,9a-tetrahydrodibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-N-[4-(6-phenyl-4a,8,9,9b-tetrahydrodibenzofuran-2-yl)cyclohexa-1,5-dien-1-yl]-4-(3,4,7,8-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-amine
CID 168805295
N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine
CID 178089659
7-carbazol-9-yl-9,9-dimethyl-N-[4-(4-methylidenecyclohex-2-en-1-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-2,3-dihydrofluoren-2-amine
CID 167056731
9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
CID 88932452
N-[4-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 154937816
3-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]pyridine
CID 170044712
9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 146189114
17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene
CID 70919345
2-[4-(3,4,5,6,8b,12a-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]-4-[4-[(1E,3Z)-4-cyclohexa-1,5-dien-1-ylbuta-1,3-dienyl]phenyl]-6-(4-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-1,4-dihydropyrimidine
CID 155298718
N-[4-[4-[(9-cyclohexa-1,5-dien-1-yl-4a,7,8,9a-tetrahydrocarbazol-2-yl)-(cyclohexen-1-yl)amino]phenyl]cyclohexa-1,3-dien-1-yl]-N,9-diphenyl-2,3,5,6-tetrahydrocarbazol-2-amine
CID 170002077

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine (CID 174290455) is 9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine is CC1(C)C2=CC(N(C3=CCC(C4=Cc5c6c(n(-c7ccccc7)c5CC4)CCC=C6)C=C3)C3=CC=C(c4cccnc4)CC3)CC=C2C2=C1C=CCC2.
What is the InChIKey of 9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine?
The InChIKey is BDIJWHJJCOMIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49N3/c1-50(2)46-16-8-6-14-42(46)43-28-27-41(32-47(43)50)52(40-25-20-35(21-26-40)37-11-10-30-51-33-37)39-23-18-34(19-24-39)36-22-29-49-45(31-36)44-15-7-9-17-48(44)53(49)38-12-4-3-5-13-38/h3-5,7-8,10-13,15-16,18,20,23-25,28,30-34,41H,6,9,14,17,19,21-22,26-27,29H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine?
9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine has a molecular weight of 691.96 g/mol, XLogP of 12.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)cyclohexa-1,5-dien-1-yl]-N-(4-pyridin-3-ylcyclohexa-1,3-dien-1-yl)-2,3,5,6-tetrahydrofluoren-2-amine is sourced from PubChem (CID 174290455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).