N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine

C64H41N — CID 130464681

IUPACN,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccccc5c5ccccc5c5ccccc5c5c(cc6ccc7cccc8ccc5c6c78)c4c3)cc2)cc1
InChIInChI=1S/C64H41N/c1-3-14-42(15-4-1)44-28-33-49(34-29-44)65(50-35-30-45(31-36-50)43-16-5-2-6-17-43)51-37-39-57-55-23-10-8-21-53(55)52-20-7-9-22-54(52)56-24-11-12-25-58(56)64-59-38-32-47-19-13-18-46-26-27-48(63(59)62(46)47)40-61(64)60(57)41-51/h1-41H/b53-52-,56-54-,57-55-,61-60-,64-58-
InChIKeyMQANLZFKZRQMKJ-KLCFFOKHSA-N
MW824.04 g/mol
LogP18.28
Rot. Bonds5

About N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine

N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine (PubChem CID 130464681) has the molecular formula C64H41N and a molecular weight of 824.04 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine
PubChem CID130464681
Molecular FormulaC64H41N
Molecular Weight824.04 g/mol
Exact Mass823.32
IUPAC NameN,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccccc5c5ccccc5c5ccccc5c5c(cc6ccc7cccc8ccc5c6c78)c4c3)cc2)cc1
InChIInChI=1S/C64H41N/c1-3-14-42(15-4-1)44-28-33-49(34-29-44)65(50-35-30-45(31-36-50)43-16-5-2-6-17-43)51-37-39-57-55-23-10-8-21-53(55)52-20-7-9-22-54(52)56-24-11-12-25-58(56)64-59-38-32-47-19-13-18-46-26-27-48(63(59)62(46)47)40-61(64)60(57)41-51/h1-41H/b53-52-,56-54-,57-55-,61-60-,64-58-
InChIKeyMQANLZFKZRQMKJ-KLCFFOKHSA-N
XLogP18.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.04
LogP ≤ 518.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine with MolForge

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Related Compounds

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CID 167411387
3-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 167410735
heptacyclo[18.6.2.02,15.03,8.09,14.017,27.024,28]octacosa-1(27),2(15),3,5,7,9,11,13,16,18,20(28),21,23,25-tetradecaene
CID 15820916
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096
5-N,18-N-diphenyl-5-N,18-N-bis[4-(3-phenylphenyl)phenyl]hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010766
N-phenanthren-2-yl-N-(4-phenylphenyl)chrysen-3-amine
CID 170135801
7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 88884899
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-(24-nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaenyl)-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 130464727
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
3-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 170141071

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine (CID 130464681) is N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccccc5c5ccccc5c5ccccc5c5c(cc6ccc7cccc8ccc5c6c78)c4c3)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine?
The InChIKey is MQANLZFKZRQMKJ-KLCFFOKHSA-N. The full InChI is InChI=1S/C64H41N/c1-3-14-42(15-4-1)44-28-33-49(34-29-44)65(50-35-30-45(31-36-50)43-16-5-2-6-17-43)51-37-39-57-55-23-10-8-21-53(55)52-20-7-9-22-54(52)56-24-11-12-25-58(56)64-59-38-32-47-19-13-18-46-26-27-48(63(59)62(46)47)40-61(64)60(57)41-51/h1-41H/b53-52-,56-54-,57-55-,61-60-,64-58-.
What are the key properties of N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine?
N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine has a molecular weight of 824.04 g/mol, XLogP of 18.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)nonacyclo[30.6.2.02,27.03,8.09,14.015,20.021,26.029,39.036,40]tetraconta-1(39),2(27),3,5,7,9,11,13,15,17,19,21(26),22,24,28,30,32(40),33,35,37-icosaen-24-amine is sourced from PubChem (CID 130464681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).