(6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine

C58H44N2O2 — CID 118442363

IUPAC(6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine
SMILESC=C1/C=C\C=C/CC(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)Oc5ccccc5O7)cc4)cc3)ccc21
InChIInChI=1S/C58H44N2O2/c1-39-14-6-5-13-35-58(2,3)51-36-47(33-34-48(39)51)59(44-27-21-41(22-28-44)40-15-7-4-8-16-40)45-29-23-42(24-30-45)43-25-31-46(32-26-43)60-52-18-10-9-17-49(52)50-37-56-57(38-53(50)60)62-55-20-12-11-19-54(55)61-56/h4-34,36-38H,1,35H2,2-3H3/b13-5-,14-6-
InChIKeyKYOMRAWFNHJWQA-GFIWHYBVSA-N
MW801.00 g/mol
LogP16.29
Rot. Bonds6

About (6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine

(6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine (PubChem CID 118442363) has the molecular formula C58H44N2O2 and a molecular weight of 801.00 g/mol. Its IUPAC name is (6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine.

Molecular Properties

Compound Name(6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine
PubChem CID118442363
Molecular FormulaC58H44N2O2
Molecular Weight801.00 g/mol
Exact Mass800.34
IUPAC Name(6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine
SMILESC=C1/C=C\C=C/CC(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)Oc5ccccc5O7)cc4)cc3)ccc21
InChIInChI=1S/C58H44N2O2/c1-39-14-6-5-13-35-58(2,3)51-36-47(33-34-48(39)51)59(44-27-21-41(22-28-44)40-15-7-4-8-16-40)45-29-23-42(24-30-45)43-25-31-46(32-26-43)60-52-18-10-9-17-49(52)50-37-56-57(38-53(50)60)62-55-20-12-11-19-54(55)61-56/h4-34,36-38H,1,35H2,2-3H3/b13-5-,14-6-
InChIKeyKYOMRAWFNHJWQA-GFIWHYBVSA-N
XLogP16.29
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.00
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine with MolForge

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Related Compounds

N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
CID 118441907
(16Z,18Z)-14,14-dimethyl-20-methylidene-10-phenyl-10-azatetracyclo[11.7.0.03,11.04,9]icosa-1(13),2,4,6,8,11,16,18-octaene
CID 122491668
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 126629727
N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629784
9-[(10'Z,12'Z)-9'-methylidenespiro[fluorene-9,2'-tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene]-2-yl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 121391731
N-dibenzo-p-dioxin-2-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629726
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
7,7-dimethyl-5-phenyl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66805021
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89212864
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine?
The IUPAC name of (6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine (CID 118442363) is (6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine.
What is the SMILES notation for (6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine?
The canonical SMILES for (6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine is C=C1/C=C\C=C/CC(C)(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)Oc5ccccc5O7)cc4)cc3)ccc21.
What is the InChIKey of (6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine?
The InChIKey is KYOMRAWFNHJWQA-GFIWHYBVSA-N. The full InChI is InChI=1S/C58H44N2O2/c1-39-14-6-5-13-35-58(2,3)51-36-47(33-34-48(39)51)59(44-27-21-41(22-28-44)40-15-7-4-8-16-40)45-29-23-42(24-30-45)43-25-31-46(32-26-43)60-52-18-10-9-17-49(52)50-37-56-57(38-53(50)60)62-55-20-12-11-19-54(55)61-56/h4-34,36-38H,1,35H2,2-3H3/b13-5-,14-6-.
What are the key properties of (6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine?
(6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine has a molecular weight of 801.00 g/mol, XLogP of 16.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-N-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]-11,11-dimethyl-5-methylidene-N-(4-phenylphenyl)-10H-benzo[9]annulen-2-amine is sourced from PubChem (CID 118442363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).