9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine

C69H52N2 — CID 121355740

IUPAC9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine
SMILESCC1C=C(C2(c3ccccc3)c3ccccc3-c3ccc(Nc4ccccc4-c4cccc(-c5ccc6c(c5)c5c7n6-c6ccc(-c8ccccc8)cc6-c6ccccc6C7C(C)C=C5)c4)cc32)C=CC1
InChIInChI=1S/C69H52N2/c1-44-17-15-24-52(39-44)69(51-22-7-4-8-23-51)62-29-13-11-27-56(62)57-36-34-53(43-63(57)69)70-64-30-14-12-25-54(64)50-21-16-20-47(40-50)49-33-38-66-61(42-49)59-35-31-45(2)67-58-28-10-9-26-55(58)60-41-48(46-18-5-3-6-19-46)32-37-65(60)71(66)68(59)67/h3-16,18-45,67,70H,17H2,1-2H3
InChIKeyYQGXZEXECGCDLX-UHFFFAOYSA-N
MW909.19 g/mol
LogP17.99
Rot. Bonds7

About 9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine

9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine (PubChem CID 121355740) has the molecular formula C69H52N2 and a molecular weight of 909.19 g/mol. Its IUPAC name is 9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine.

Molecular Properties

Compound Name9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine
PubChem CID121355740
Molecular FormulaC69H52N2
Molecular Weight909.19 g/mol
Exact Mass908.41
IUPAC Name9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine
SMILESCC1C=C(C2(c3ccccc3)c3ccccc3-c3ccc(Nc4ccccc4-c4cccc(-c5ccc6c(c5)c5c7n6-c6ccc(-c8ccccc8)cc6-c6ccccc6C7C(C)C=C5)c4)cc32)C=CC1
InChIInChI=1S/C69H52N2/c1-44-17-15-24-52(39-44)69(51-22-7-4-8-23-51)62-29-13-11-27-56(62)57-36-34-53(43-63(57)69)70-64-30-14-12-25-54(64)50-21-16-20-47(40-50)49-33-38-66-61(42-49)59-35-31-45(2)67-58-28-10-9-26-55(58)60-41-48(46-18-5-3-6-19-46)32-37-65(60)71(66)68(59)67/h3-16,18-45,67,70H,17H2,1-2H3
InChIKeyYQGXZEXECGCDLX-UHFFFAOYSA-N
XLogP17.99
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.19
LogP ≤ 517.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine with MolForge

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Related Compounds

4-[3-[3-[2-[[3-methyl-9-(3-methylcyclohexa-1,5-dien-1-yl)-9-phenyl-2,3-dihydrofluoren-2-yl]amino]phenyl]phenyl]phenyl]benzonitrile
CID 118675119
N-(3-methylcyclohexa-1,5-dien-1-yl)-9,9-diphenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 145232530
9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine
CID 145085634
N-[4-[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135159348
9,9-di(dibenzofuran-2-yl)-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 142453747
N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170099431
1-[(5S)-5-methyl-3-(9-naphthalen-1-ylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 121343998
9,9-diphenyl-N-(2-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 153470826
3-[4-[2-[3-[4-[(9,9-diphenylfluoren-2-yl)amino]-3-phenylphenyl]-5-methylcyclohexa-1,3-dien-1-yl]anilino]phenyl]benzonitrile
CID 118895769
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-[2-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590571
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 145077283
3-[3-(4-bromophenyl)phenyl]-9-phenylcarbazole;9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;methane
CID 157191084

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine?
The IUPAC name of 9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine (CID 121355740) is 9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine.
What is the SMILES notation for 9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine?
The canonical SMILES for 9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine is CC1C=C(C2(c3ccccc3)c3ccccc3-c3ccc(Nc4ccccc4-c4cccc(-c5ccc6c(c5)c5c7n6-c6ccc(-c8ccccc8)cc6-c6ccccc6C7C(C)C=C5)c4)cc32)C=CC1.
What is the InChIKey of 9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine?
The InChIKey is YQGXZEXECGCDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H52N2/c1-44-17-15-24-52(39-44)69(51-22-7-4-8-23-51)62-29-13-11-27-56(62)57-36-34-53(43-63(57)69)70-64-30-14-12-25-54(64)50-21-16-20-47(40-50)49-33-38-66-61(42-49)59-35-31-45(2)67-58-28-10-9-26-55(58)60-41-48(46-18-5-3-6-19-46)32-37-65(60)71(66)68(59)67/h3-16,18-45,67,70H,17H2,1-2H3.
What are the key properties of 9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine?
9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine has a molecular weight of 909.19 g/mol, XLogP of 17.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine is sourced from PubChem (CID 121355740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).