9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene

C71H59N — CID 143607873

IUPAC9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
SMILESCc1cc2ccccc2c2ccccc12.Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(N(c2ccccc2)c2cc4ccccc4c4ccccc24)c2ccccc2c1-3.Cc1ccccc1
InChIInChI=1S/C49H39N.C15H12.C7H8/c1-30-23-24-35-39-27-43-40(28-42(39)48(2,3)41(35)25-30)47-38-22-14-13-21-37(38)46(29-44(47)49(43,4)5)50(32-16-7-6-8-17-32)45-26-31-15-9-10-18-33(31)34-19-11-12-20-36(34)45;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-7-5-3-2-4-6-7/h6-29H,1-5H3;2-10H,1H3;2-6H,1H3
InChIKeyVPIYUFCSRUZGQY-UHFFFAOYSA-N
MW926.26 g/mol
LogP19.83
Rot. Bonds3

About 9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene

9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene (PubChem CID 143607873) has the molecular formula C71H59N and a molecular weight of 926.26 g/mol. Its IUPAC name is 9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene.

Molecular Properties

Compound Name9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
PubChem CID143607873
Molecular FormulaC71H59N
Molecular Weight926.26 g/mol
Exact Mass925.46
IUPAC Name9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
SMILESCc1cc2ccccc2c2ccccc12.Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(N(c2ccccc2)c2cc4ccccc4c4ccccc24)c2ccccc2c1-3.Cc1ccccc1
InChIInChI=1S/C49H39N.C15H12.C7H8/c1-30-23-24-35-39-27-43-40(28-42(39)48(2,3)41(35)25-30)47-38-22-14-13-21-37(38)46(29-44(47)49(43,4)5)50(32-16-7-6-8-17-32)45-26-31-15-9-10-18-33(31)34-19-11-12-20-36(34)45;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-7-5-3-2-4-6-7/h6-29H,1-5H3;2-10H,1H3;2-6H,1H3
InChIKeyVPIYUFCSRUZGQY-UHFFFAOYSA-N
XLogP19.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.26
LogP ≤ 519.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene with MolForge

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Related Compounds

19-benzyl-12,12,22,22-tetramethyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
CID 143607942
9-N,19-N-bis(9,9-dimethylfluoren-2-yl)-9-N,19-N-bis(2,5-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 171449691
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
CID 118428490
4-methyl-N-(4-methylphenyl)-N-[4-[9,19,22,22-tetramethyl-12-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-12-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl]phenyl]aniline
CID 90244035
7-phenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 162053768
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477
11-N,11-N,25-N,25-N-tetraphenyl-14,14,28,28-tetrakis(trideuteriomethyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
CID 88848839
22-ethyl-12,12,22-trimethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 123586227
N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-phenanthren-9-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
CID 59246131
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035

Frequently Asked Questions

What is the IUPAC name of 9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene?
The IUPAC name of 9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene (CID 143607873) is 9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene.
What is the SMILES notation for 9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene?
The canonical SMILES for 9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene is Cc1cc2ccccc2c2ccccc12.Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(N(c2ccccc2)c2cc4ccccc4c4ccccc24)c2ccccc2c1-3.Cc1ccccc1.
What is the InChIKey of 9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene?
The InChIKey is VPIYUFCSRUZGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39N.C15H12.C7H8/c1-30-23-24-35-39-27-43-40(28-42(39)48(2,3)41(35)25-30)47-38-22-14-13-21-37(38)46(29-44(47)49(43,4)5)50(32-16-7-6-8-17-32)45-26-31-15-9-10-18-33(31)34-19-11-12-20-36(34)45;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-7-5-3-2-4-6-7/h6-29H,1-5H3;2-10H,1H3;2-6H,1H3.
What are the key properties of 9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene?
9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene has a molecular weight of 926.26 g/mol, XLogP of 19.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylphenanthrene;12,12,19,22,22-pentamethyl-N-phenanthren-9-yl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene is sourced from PubChem (CID 143607873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).