N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

C67H44N2 — CID 121386045

IUPACN-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4-c4cccc6c7ccccc7n-5c46)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C67H44N2/c1-3-16-45(17-4-1)46-30-37-51(38-31-46)68(53-41-35-50(36-42-53)67(49-18-5-2-6-19-49)62-27-12-9-22-56(62)57-23-10-13-28-63(57)67)52-39-32-47(33-40-52)48-34-43-65-61(44-48)55-21-8-7-20-54(55)59-25-15-26-60-58-24-11-14-29-64(58)69(65)66(59)60/h1-44H
InChIKeyPXZHCPPCURCPRI-UHFFFAOYSA-N
MW877.10 g/mol
LogP17.60
Rot. Bonds7

About N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 121386045) has the molecular formula C67H44N2 and a molecular weight of 877.10 g/mol. Its IUPAC name is N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
PubChem CID121386045
Molecular FormulaC67H44N2
Molecular Weight877.10 g/mol
Exact Mass876.35
IUPAC NameN-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4-c4cccc6c7ccccc7n-5c46)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C67H44N2/c1-3-16-45(17-4-1)46-30-37-51(38-31-46)68(53-41-35-50(36-42-53)67(49-18-5-2-6-19-49)62-27-12-9-22-56(62)57-23-10-13-28-63(57)67)52-39-32-47(33-40-52)48-34-43-65-61(44-48)55-21-8-7-20-54(55)59-25-15-26-60-58-24-11-14-29-64(58)69(65)66(59)60/h1-44H
InChIKeyPXZHCPPCURCPRI-UHFFFAOYSA-N
XLogP17.60
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.10
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline with MolForge

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Related Compounds

9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 167322443
N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214673
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
N-[4-(7,7-diphenyl-4-oxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 71023378
9-naphthalen-1-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334261
N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122414007
N-[4-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445356
9-[4-(9,9-diphenylfluoren-4-yl)-2-phenylphenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 171418861
4-[9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]fluoren-9-yl]-N,N-bis[4-[9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]aniline
CID 59561697
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118180091

Frequently Asked Questions

What is the IUPAC name of N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The IUPAC name of N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (CID 121386045) is N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The canonical SMILES for N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4-c4cccc6c7ccccc7n-5c46)cc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The InChIKey is PXZHCPPCURCPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2/c1-3-16-45(17-4-1)46-30-37-51(38-31-46)68(53-41-35-50(36-42-53)67(49-18-5-2-6-19-49)62-27-12-9-22-56(62)57-23-10-13-28-63(57)67)52-39-32-47(33-40-52)48-34-43-65-61(44-48)55-21-8-7-20-54(55)59-25-15-26-60-58-24-11-14-29-64(58)69(65)66(59)60/h1-44H.
What are the key properties of N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline has a molecular weight of 877.10 g/mol, XLogP of 17.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)phenyl]-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 121386045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).