N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine

C76H47N5 — CID 134387002

IUPACN-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)-c3cc5c(c6cccc-4c36)c3ccc(-c4cccc(N(c6ccncc6)c6ccc7cc8c(cc7c6)-c6cccc7cccc-8c67)c4)cc3n5-c3ccccc3)cc2)c2cccnc2)cc1
InChIInChI=1S/C76H47N5/c1-3-15-55(16-4-1)79(61-20-11-37-78-47-61)57-30-25-48(26-31-57)51-28-33-62-63-23-10-24-67-75(63)71(68(62)42-51)46-73-76(67)66-34-29-53(45-72(66)81(73)56-17-5-2-6-18-56)50-14-7-19-59(40-50)80(58-35-38-77-39-36-58)60-32-27-52-43-69-64-21-8-12-49-13-9-22-65(74(49)64)70(69)44-54(52)41-60/h1-47H
InChIKeyCFJGHBULSGZDIS-UHFFFAOYSA-N
MW1030.25 g/mol
LogP20.60
Rot. Bonds9

About N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine

N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine (PubChem CID 134387002) has the molecular formula C76H47N5 and a molecular weight of 1030.25 g/mol. Its IUPAC name is N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine.

Molecular Properties

Compound NameN-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine
PubChem CID134387002
Molecular FormulaC76H47N5
Molecular Weight1030.25 g/mol
Exact Mass1029.38
IUPAC NameN-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)-c3cc5c(c6cccc-4c36)c3ccc(-c4cccc(N(c6ccncc6)c6ccc7cc8c(cc7c6)-c6cccc7cccc-8c67)c4)cc3n5-c3ccccc3)cc2)c2cccnc2)cc1
InChIInChI=1S/C76H47N5/c1-3-15-55(16-4-1)79(61-20-11-37-78-47-61)57-30-25-48(26-31-57)51-28-33-62-63-23-10-24-67-75(63)71(68(62)42-51)46-73-76(67)66-34-29-53(45-72(66)81(73)56-17-5-2-6-18-56)50-14-7-19-59(40-50)80(58-35-38-77-39-36-58)60-32-27-52-43-69-64-21-8-12-49-13-9-22-65(74(49)64)70(69)44-54(52)41-60/h1-47H
InChIKeyCFJGHBULSGZDIS-UHFFFAOYSA-N
XLogP20.60
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.25
LogP ≤ 520.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine with MolForge

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Related Compounds

6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine
CID 90305755
N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine
CID 155771642
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline
CID 166659667
9-(4-fluoranthen-8-ylphenyl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 118580856
3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 126628031
2-phenyl-N-[3-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847702
N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
CID 118505881
9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 166032415
N-fluoranthen-8-yl-N-phenylpyridin-3-amine
CID 118410662
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
5-naphthalen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169010384

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine?
The IUPAC name of N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine (CID 134387002) is N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine.
What is the SMILES notation for N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine?
The canonical SMILES for N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)-c3cc5c(c6cccc-4c36)c3ccc(-c4cccc(N(c6ccncc6)c6ccc7cc8c(cc7c6)-c6cccc7cccc-8c67)c4)cc3n5-c3ccccc3)cc2)c2cccnc2)cc1.
What is the InChIKey of N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine?
The InChIKey is CFJGHBULSGZDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H47N5/c1-3-15-55(16-4-1)79(61-20-11-37-78-47-61)57-30-25-48(26-31-57)51-28-33-62-63-23-10-24-67-75(63)71(68(62)42-51)46-73-76(67)66-34-29-53(45-72(66)81(73)56-17-5-2-6-18-56)50-14-7-19-59(40-50)80(58-35-38-77-39-36-58)60-32-27-52-43-69-64-21-8-12-49-13-9-22-65(74(49)64)70(69)44-54(52)41-60/h1-47H.
What are the key properties of N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine?
N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine has a molecular weight of 1030.25 g/mol, XLogP of 20.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[3-[benzo[k]fluoranthen-9-yl(pyridin-4-yl)amino]phenyl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),14,16,19,21-undecaen-15-yl]phenyl]-N-phenylpyridin-3-amine is sourced from PubChem (CID 134387002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).