N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine

C63H43N3 — CID 169023208

IUPACN-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
SMILESCC1(C)c2cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc3c2-c2c1ccc1c4ccccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C63H43N3/c1-63(2)53-36-35-51-48-24-10-13-28-56(48)66-57-29-14-11-25-49(57)52-38-43(39-54(63)59(52)60(53)62(51)66)42-19-15-22-46(37-42)64(45-33-31-41(32-34-45)40-17-5-3-6-18-40)58-30-16-26-50-47-23-9-12-27-55(47)65(61(50)58)44-20-7-4-8-21-44/h3-39H,1-2H3
InChIKeyHVESSJMXHSMONO-UHFFFAOYSA-N
MW842.06 g/mol
LogP16.97
Rot. Bonds6

About N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine

N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine (PubChem CID 169023208) has the molecular formula C63H43N3 and a molecular weight of 842.06 g/mol. Its IUPAC name is N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
PubChem CID169023208
Molecular FormulaC63H43N3
Molecular Weight842.06 g/mol
Exact Mass841.35
IUPAC NameN-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
SMILESCC1(C)c2cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc3c2-c2c1ccc1c4ccccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C63H43N3/c1-63(2)53-36-35-51-48-24-10-13-28-56(48)66-57-29-14-11-25-49(57)52-38-43(39-54(63)59(52)60(53)62(51)66)42-19-15-22-46(37-42)64(45-33-31-41(32-34-45)40-17-5-3-6-18-40)58-30-16-26-50-47-23-9-12-27-55(47)65(61(50)58)44-20-7-4-8-21-44/h3-39H,1-2H3
InChIKeyHVESSJMXHSMONO-UHFFFAOYSA-N
XLogP16.97
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.06
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine with MolForge

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Related Compounds

9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene-26,1'-cyclohexane]-5-ylphenyl)carbazol-1-amine
CID 169023204
N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 169023136
N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine
CID 169023375
N-[3-[4-[4-[4-(N-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine
CID 167225012
N-[8-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-18-yl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169023356
26,26-dimethyl-N,N-bis(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine
CID 167224954
N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-1-amine
CID 155004194
N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-7-[6-[3-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
CID 170142819
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816

Frequently Asked Questions

What is the IUPAC name of N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine (CID 169023208) is N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine is CC1(C)c2cc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc3c2-c2c1ccc1c4ccccc4n(c21)-c1ccccc1-3.
What is the InChIKey of N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
The InChIKey is HVESSJMXHSMONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3/c1-63(2)53-36-35-51-48-24-10-13-28-56(48)66-57-29-14-11-25-49(57)52-38-43(39-54(63)59(52)60(53)62(51)66)42-19-15-22-46(37-42)64(45-33-31-41(32-34-45)40-17-5-3-6-18-40)58-30-16-26-50-47-23-9-12-27-55(47)65(61(50)58)44-20-7-4-8-21-44/h3-39H,1-2H3.
What are the key properties of N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine?
N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine has a molecular weight of 842.06 g/mol, XLogP of 16.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 169023208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).