N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C56H41N — CID 129230853

IUPACN-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESCC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C56H41N/c1-55(2)48-24-13-26-50-53(48)54-49(55)25-14-27-51(54)56(50,43-20-7-4-8-21-43)44-22-11-19-42(37-44)40-31-35-46(36-32-40)57(52-28-12-18-41-17-9-10-23-47(41)52)45-33-29-39(30-34-45)38-15-5-3-6-16-38/h3-37H,1-2H3
InChIKeyQIDOFQRMZFWQST-UHFFFAOYSA-N
MW727.95 g/mol
LogP14.65
Rot. Bonds7

About N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 129230853) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID129230853
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC NameN-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESCC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C56H41N/c1-55(2)48-24-13-26-50-53(48)54-49(55)25-14-27-51(54)56(50,43-20-7-4-8-21-43)44-22-11-19-42(37-44)40-31-35-46(36-32-40)57(52-28-12-18-41-17-9-10-23-47(41)52)45-33-29-39(30-34-45)38-15-5-3-6-16-38/h3-37H,1-2H3
InChIKeyQIDOFQRMZFWQST-UHFFFAOYSA-N
XLogP14.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine with MolForge

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Related Compounds

3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-diphenylaniline;4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 158574088
N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 129230832
N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 129230818
3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N,N-bis(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 161433581
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine;9,9-dimethyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 158455101
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 169019837
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 118134260
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 126548871
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159359844
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 129230853) is N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is CC1(C)c2cccc3c2-c2c1cccc2C3(c1ccccc1)c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2)c1.
What is the InChIKey of N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is QIDOFQRMZFWQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N/c1-55(2)48-24-13-26-50-53(48)54-49(55)25-14-27-51(54)56(50,43-20-7-4-8-21-43)44-22-11-19-42(37-44)40-31-35-46(36-32-40)57(52-28-12-18-41-17-9-10-23-47(41)52)45-33-29-39(30-34-45)38-15-5-3-6-16-38/h3-37H,1-2H3.
What are the key properties of N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 727.95 g/mol, XLogP of 14.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 129230853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).