N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine

C62H46N2 — CID 146413755

IUPACN-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine
SMILESC1=CCC(C23c4ccccc4-c4cccc(c42)C(c2ccccc2)(c2ccccc2N(c2ccccc2)c2ccc4c5ccccc5n(-c5ccccc5)c4c2)C2C=CC=CC23)C=C1
InChIInChI=1S/C62H46N2/c1-5-22-43(23-6-1)61(53-34-16-17-35-54(53)62(44-24-7-2-8-25-44)52-33-15-13-30-48(52)51-32-21-37-56(61)60(51)62)55-36-18-20-39-58(55)63(45-26-9-3-10-27-45)47-40-41-50-49-31-14-19-38-57(49)64(59(50)42-47)46-28-11-4-12-29-46/h1-24,26-42,44,53-54H,25H2
InChIKeyFSSBWFAWSRLCNZ-UHFFFAOYSA-N
MW819.06 g/mol
LogP15.36
Rot. Bonds7

About N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine

N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine (PubChem CID 146413755) has the molecular formula C62H46N2 and a molecular weight of 819.06 g/mol. Its IUPAC name is N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine
PubChem CID146413755
Molecular FormulaC62H46N2
Molecular Weight819.06 g/mol
Exact Mass818.37
IUPAC NameN-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine
SMILESC1=CCC(C23c4ccccc4-c4cccc(c42)C(c2ccccc2)(c2ccccc2N(c2ccccc2)c2ccc4c5ccccc5n(-c5ccccc5)c4c2)C2C=CC=CC23)C=C1
InChIInChI=1S/C62H46N2/c1-5-22-43(23-6-1)61(53-34-16-17-35-54(53)62(44-24-7-2-8-25-44)52-33-15-13-30-48(52)51-32-21-37-56(61)60(51)62)55-36-18-20-39-58(55)63(45-26-9-3-10-27-45)47-40-41-50-49-31-14-19-38-57(49)64(59(50)42-47)46-28-11-4-12-29-46/h1-24,26-42,44,53-54H,25H2
InChIKeyFSSBWFAWSRLCNZ-UHFFFAOYSA-N
XLogP15.36
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.06
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine with MolForge

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Related Compounds

9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 118462727
N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine
CID 156664793
N-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
CID 164778272
1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine
CID 164838059
2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
CID 164838093
1-N',3-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-1',3-diamine
CID 164838009
1-N'-naphthalen-2-yl-1-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 164838184
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
N-(3-carbazol-9-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121381724
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
4-N-naphthalen-1-yl-1-N',1-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 164838106
N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine
CID 157370486

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine (CID 146413755) is N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine is C1=CCC(C23c4ccccc4-c4cccc(c42)C(c2ccccc2)(c2ccccc2N(c2ccccc2)c2ccc4c5ccccc5n(-c5ccccc5)c4c2)C2C=CC=CC23)C=C1.
What is the InChIKey of N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine?
The InChIKey is FSSBWFAWSRLCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2/c1-5-22-43(23-6-1)61(53-34-16-17-35-54(53)62(44-24-7-2-8-25-44)52-33-15-13-30-48(52)51-32-21-37-56(61)60(51)62)55-36-18-20-39-58(55)63(45-26-9-3-10-27-45)47-40-41-50-49-31-14-19-38-57(49)64(59(50)42-47)46-28-11-4-12-29-46/h1-24,26-42,44,53-54H,25H2.
What are the key properties of N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine?
N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine has a molecular weight of 819.06 g/mol, XLogP of 15.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,15,17-octaenyl)phenyl]-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 146413755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).