9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline

C184H196N4 — CID 160600944

IUPAC9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(N(c3cc(C4C5CC6CC(C5)CC4C6)cc(C4C5CC6CC(C5)CC4C6)c3)c3c4ccccc4c(N(c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4)c4cc(C5C6CC7CC(C6)CC5C7)cc(C5C6CC7CC(C6)CC5C7)c4)c4cc(-c5ccccc5)ccc34)c2)cc(C(C)(C)C)c1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc5ccccc5c4)nc23)cc1
InChIInChI=1S/C140H168N2.C44H28N2/c1-133(2,3)111-60-95(61-112(77-111)134(4,5)6)91-56-92(96-62-113(135(7,8)9)78-114(63-96)136(10,11)12)69-119(68-91)141(121-72-107(127-99-40-81-36-82(42-99)43-100(127)41-81)58-108(73-121)128-101-44-83-37-84(46-101)47-102(128)45-83)131-123-32-28-29-33-124(123)132(126-76-90(34-35-125(126)131)89-30-26-25-27-31-89)142(122-74-109(129-103-48-85-38-86(50-103)51-104(129)49-85)59-110(75-122)130-105-52-87-39-88(54-105)55-106(130)53-87)120-70-93(97-64-115(137(13,14)15)79-116(65-97)138(16,17)18)57-94(71-120)98-66-117(139(19,20)21)80-118(67-98)140(22,23)24;1-3-13-31(14-4-1)39-27-41(35-21-19-29-11-7-9-17-33(29)25-35)45-43-37(39)23-24-38-40(32-15-5-2-6-16-32)28-42(46-44(38)43)36-22-20-30-12-8-10-18-34(30)26-36/h25-35,56-88,99-106,127-130H,36-55H2,1-24H3;1-28H
InChIKeyREGMUJYDTLDNQR-UHFFFAOYSA-N
MW2463.62 g/mol
LogP51.56
Rot. Bonds19

About 9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline

9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline (PubChem CID 160600944) has the molecular formula C184H196N4 and a molecular weight of 2463.62 g/mol. Its IUPAC name is 9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline
PubChem CID160600944
Molecular FormulaC184H196N4
Molecular Weight2463.62 g/mol
Exact Mass2461.55
IUPAC Name9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(N(c3cc(C4C5CC6CC(C5)CC4C6)cc(C4C5CC6CC(C5)CC4C6)c3)c3c4ccccc4c(N(c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4)c4cc(C5C6CC7CC(C6)CC5C7)cc(C5C6CC7CC(C6)CC5C7)c4)c4cc(-c5ccccc5)ccc34)c2)cc(C(C)(C)C)c1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc5ccccc5c4)nc23)cc1
InChIInChI=1S/C140H168N2.C44H28N2/c1-133(2,3)111-60-95(61-112(77-111)134(4,5)6)91-56-92(96-62-113(135(7,8)9)78-114(63-96)136(10,11)12)69-119(68-91)141(121-72-107(127-99-40-81-36-82(42-99)43-100(127)41-81)58-108(73-121)128-101-44-83-37-84(46-101)47-102(128)45-83)131-123-32-28-29-33-124(123)132(126-76-90(34-35-125(126)131)89-30-26-25-27-31-89)142(122-74-109(129-103-48-85-38-86(50-103)51-104(129)49-85)59-110(75-122)130-105-52-87-39-88(54-105)55-106(130)53-87)120-70-93(97-64-115(137(13,14)15)79-116(65-97)138(16,17)18)57-94(71-120)98-66-117(139(19,20)21)80-118(67-98)140(22,23)24;1-3-13-31(14-4-1)39-27-41(35-21-19-29-11-7-9-17-33(29)25-35)45-43-37(39)23-24-38-40(32-15-5-2-6-16-32)28-42(46-44(38)43)36-22-20-30-12-8-10-18-34(30)26-36/h25-35,56-88,99-106,127-130H,36-55H2,1-24H3;1-28H
InChIKeyREGMUJYDTLDNQR-UHFFFAOYSA-N
XLogP51.56
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002463.62
LogP ≤ 551.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline with MolForge

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Related Compounds

10-[10-(3,5-ditert-butyl-N-(3,5-ditert-butylphenyl)anilino)-3-naphthalen-2-ylanthracen-9-yl]-N,N-bis(3,5-ditert-butylphenyl)-2-naphthalen-2-ylanthracen-9-amine
CID 169278485
4,7-bis(4-tert-butylphenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909450
4,7-dinaphthalen-2-yl-2,9-diphenyl-1,10-phenanthroline
CID 70909440
N-[3-(2-adamantyl)phenyl]-9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-2,5-diphenylphenyl]phenyl]fluoren-2-amine
CID 176611463
2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine
CID 130355484
9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine
CID 157415217
9-N,10-N-bis(3,5-ditert-butylphenyl)-9-N,10-N-bis(3,5-didecylphenyl)-2-phenylanthracene-9,10-diamine;10-[bis(3,5-dicyclohexylphenyl)methyl]-2-butyl-N,N-bis(3,5-dicyclohexylphenyl)anthracen-9-amine
CID 165035472
9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
CID 89254148
9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-dinaphthalen-2-ylanthracene-9,10-diamine
CID 59133433
9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine
CID 91240988
2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 23154901
9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 144837312

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline?
The IUPAC name of 9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline (CID 160600944) is 9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline.
What is the SMILES notation for 9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline?
The canonical SMILES for 9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline is CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(N(c3cc(C4C5CC6CC(C5)CC4C6)cc(C4C5CC6CC(C5)CC4C6)c3)c3c4ccccc4c(N(c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4)c4cc(C5C6CC7CC(C6)CC5C7)cc(C5C6CC7CC(C6)CC5C7)c4)c4cc(-c5ccccc5)ccc34)c2)cc(C(C)(C)C)c1.c1ccc(-c2cc(-c3ccc4ccccc4c3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc5ccccc5c4)nc23)cc1.
What is the InChIKey of 9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline?
The InChIKey is REGMUJYDTLDNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H168N2.C44H28N2/c1-133(2,3)111-60-95(61-112(77-111)134(4,5)6)91-56-92(96-62-113(135(7,8)9)78-114(63-96)136(10,11)12)69-119(68-91)141(121-72-107(127-99-40-81-36-82(42-99)43-100(127)41-81)58-108(73-121)128-101-44-83-37-84(46-101)47-102(128)45-83)131-123-32-28-29-33-124(123)132(126-76-90(34-35-125(126)131)89-30-26-25-27-31-89)142(122-74-109(129-103-48-85-38-86(50-103)51-104(129)49-85)59-110(75-122)130-105-52-87-39-88(54-105)55-106(130)53-87)120-70-93(97-64-115(137(13,14)15)79-116(65-97)138(16,17)18)57-94(71-120)98-66-117(139(19,20)21)80-118(67-98)140(22,23)24;1-3-13-31(14-4-1)39-27-41(35-21-19-29-11-7-9-17-33(29)25-35)45-43-37(39)23-24-38-40(32-15-5-2-6-16-32)28-42(46-44(38)43)36-22-20-30-12-8-10-18-34(30)26-36/h25-35,56-88,99-106,127-130H,36-55H2,1-24H3;1-28H.
What are the key properties of 9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline?
9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline has a molecular weight of 2463.62 g/mol, XLogP of 51.56, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-bis[3,5-bis(2-adamantyl)phenyl]-9-N,10-N-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2-phenylanthracene-9,10-diamine;2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline is sourced from PubChem (CID 160600944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).